phenyl 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazino]ethanesulfonic acid phenyl ester Formula: C19H22ClFN2O3S MolecularWeight: 412.905983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H22ClFN2O3S/c20-19-14-17(21)7-6-16(19)15-23-10-8-22(9-11-23)12-13-27(24,25)26-18-4-2-1-3-5-18/h1-7,14H,8-13,15H2